Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14?,15-,16+,18-,19?,23-,24+,25+,26-,27?,28+/m1/s1

InChIKey: InChIKey=JMNMXSXLYDOMTI-CWSPEPFPSA-N

Formula: C28H30O10

Molecular Weight: 526.532877

Exact Mass: 526.183897

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sunayama, R., Kuroyanagi, M., Umehara, K., Ueno, A. Phytochemistry (1993) 34, 529-33

Species:

Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (C) 207.8
2 (CH2) 44.8
3 (CH) 69
4 (CH) 126.6
5 (C) 141.2
6 (CH) 128
7 (CH) 126
8 (CH) 44.3
9 (CH) 32.6
10 (C) 55.3
11 (CH2) 26.1
12 (CH2) 25.5
13 (C) 81
14 (C) 106.4
15 (C) 213.4
16 (CH) 51.2
17 (C) 80.7
18 (C) 172.3
19 (CH3) 24.9
20 (C) 79.8
21 (CH3) 21.3
22 (CH) 77.1
23 (CH2) 32.3
24 (C) 31.1
25 (CH) 50.6
26 (C) 167.3
27 (CH2) 61.1
28 (CH3) 20.3